3GZA

Crystal structure of putative alpha-L-fucosidase (NP_812709.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 1.60 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-02-18
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97828,0.97916
Spacegroup name	C 1 2 1
Unit cell lengths	117.052, 81.532, 111.572
Unit cell angles	90.00, 103.55, 90.00

Refinement procedure

Resolution	28.072 - 1.600
R-factor	0.14
Rwork	0.139
R-free	0.16800
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.738
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.072	28.080	1.640
High resolution limit [Å]	1.600	7.160	1.600
Rmerge	0.074	0.045	0.365
Total number of observations		4414	28854
Number of reflections	133836
<I/σ(I)>	6.547	14.2	2
Completeness [%]	99.7	95.7	100
Redundancy	3	3	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.2	277	0.200M sodium citrate, 20.00% PEG-3350, No Buffer pH 8.2, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K